diethyl 5-[2-[[4-(3-chlorophenyl)-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-(3-chlorophenyl)-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[[4-(3-chlorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(3-chlorophenyl)-5-[[[2-furanyl(oxo)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[[4-(3-chlorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[4-(3-chlorophenyl)-5-[(2-furoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H28ClN5O7S2 MolecularWeight: 646.13422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C28H28ClN5O7S2/c1-5-39-26(37)21-15(3)22(27(38)40-6-2)43-25(21)31-23(35)16(4)42-28-33-32-20(14-30-24(36)19-11-8-12-41-19)34(28)18-10-7-9-17(29)13-18/h7-13,16H,5-6,14H2,1-4H3,(H,30,36)(H,31,35)